N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide

C20H29N3O4 — CID 9218948

IUPACN'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)CN2CCCCCC2=O)cc1
InChIInChI=1S/C20H29N3O4/c1-20(2,3)15-8-10-16(11-9-15)27-14-18(25)22-21-17(24)13-23-12-6-4-5-7-19(23)26/h8-11H,4-7,12-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyATPCSCCMNZXPCE-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.91
Rot. Bonds5

About N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide

N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide (PubChem CID 9218948) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide
PubChem CID9218948
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)CN2CCCCCC2=O)cc1
InChIInChI=1S/C20H29N3O4/c1-20(2,3)15-8-10-16(11-9-15)27-14-18(25)22-21-17(24)13-23-12-6-4-5-7-19(23)26/h8-11H,4-7,12-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyATPCSCCMNZXPCE-UHFFFAOYSA-N
XLogP1.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-dibenzofuran-2-yloxyacetyl)-2-(2-oxoazepan-1-yl)acetohydrazide
CID 9218916
4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 8623673
1-[(4-methoxyphenyl)methyl]-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea
CID 8677198
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-oxoazocan-1-yl)acetamide
CID 55756900
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
CID 55738531
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 11303543
4-methylsulfonyl-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218921
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676
N-[2-(3-aminophenoxy)acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 61035856

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide?
The IUPAC name of N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide (CID 9218948) is N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide?
The canonical SMILES for N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)CN2CCCCCC2=O)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide?
The InChIKey is ATPCSCCMNZXPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-20(2,3)15-8-10-16(11-9-15)27-14-18(25)22-21-17(24)13-23-12-6-4-5-7-19(23)26/h8-11H,4-7,12-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide?
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide has a molecular weight of 375.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide is sourced from PubChem (CID 9218948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).